chempirical

2,4,5-Trichlorophenoxyacetic acid

C8H5Cl3O3CAS 93-76-5255.48 g/mol

Open in Covalent MOL file
OHOOClClCl
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C8H5Cl3O3
Molar mass
255.48 g/mol
Exact mass
253.9304 Da
Density
1.8 g/mL (at 20 °C)
Melting point
153 °C
logP
3.11Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Identifiers

CAS number
93-76-5
SMILES
O=C(O)COc1cc(Cl)c(Cl)cc1Cl
InChIKey
SMYMJHWAQXWPDB-UHFFFAOYSA-N
InChI
InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

13 names · show all
  • Acetic acid, 2-(2,4,5-trichlorophenoxy)-
  • Acetic acid, (2,4,5-trichlorophenoxy)-
  • 2-(2,4,5-Trichlorophenoxy)acetic acid
  • 2,4,5-T
  • Fortex
  • Trioxon
  • (2,4,5-Trichlorophenoxy)acetic acid
  • Verton 2T
  • BCF-Bushkiller
  • Forst U 46
  • Arbokan
  • Trichlorophenoxyacetic acid
  • NSC 430

Work with 2,4,5-Trichlorophenoxyacetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

O-Chlorophenoxyacetic acid614-61-968 % similar 2,4-Dichlorophenoxyacetic acid94-75-767 % similar 2,3-Dichlorophenoxyacetic acid2976-74-164 % similar Aminol2008-39-157 % similar Triclopyr55335-06-356 % similar 1,2-Phenylenedioxydiacetic acid5411-14-355 % similar Mcpa94-74-651 % similar Naphthoxyacetic acid2976-75-249 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia